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{
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{
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"structure_string": "Zn4 H32 C16 N8 O24\n1.0\n8.756965 0.000000 0.000000\n0.000000 10.818900 0.000000\n0.000000 0.000000 10.950197\nZn H C N O\n4 32 16 8 24\ndirect\n0.791971 0.750000 0.750000 Zn\n0.708029 0.250000 0.750000 Zn\n0.208029 0.250000 0.250000 Zn\n0.291971 0.750000 0.250000 Zn\n0.250000 0.500000 0.058348 H\n0.588858 0.687589 0.462939 H\n0.250000 0.000000 0.441652 H\n0.750000 0.500000 0.009599 H\n0.088858 0.812411 0.962939 H\n0.852123 0.497847 0.779032 H\n0.549102 0.122352 0.389431 H\n0.049102 0.377648 0.889431 H\n0.647877 0.502153 0.779032 H\n0.088858 0.687589 0.537061 H\n0.852123 0.002153 0.720968 H\n0.450898 0.877648 0.610569 H\n0.911142 0.187589 0.037061 H\n0.450898 0.622352 0.889431 H\n0.647877 0.997847 0.720968 H\n0.147877 0.997847 0.279032 H\n0.411142 0.312411 0.537061 H\n0.352123 0.002153 0.279032 H\n0.950898 0.622352 0.110569 H\n0.352123 0.497847 0.220968 H\n0.250000 0.500000 0.990401 H\n0.911142 0.312411 0.462939 H\n0.750000 0.000000 0.558348 H\n0.750000 0.500000 0.941652 H\n0.250000 0.000000 0.509599 H\n0.588858 0.812411 0.037061 H\n0.750000 0.000000 0.490401 H\n0.950898 0.877648 0.389431 H\n0.549102 0.377648 0.110569 H\n0.049102 0.122352 0.610569 H\n0.411142 0.187589 0.962939 H\n0.147877 0.502153 0.220968 H\n0.750000 0.000000 0.175018 C\n0.750000 0.500000 0.324982 C\n0.250000 0.500000 0.675018 C\n0.750000 0.000000 0.782610 C\n0.482527 0.270255 0.977001 C\n0.482527 0.229745 0.522999 C\n0.517473 0.729745 0.022999 C\n0.250000 0.000000 0.824982 C\n0.517473 0.770255 0.477001 C\n0.017473 0.729745 0.977001 C\n0.982527 0.229745 0.477001 C\n0.017473 0.770255 0.522999 C\n0.250000 0.500000 0.282610 C\n0.750000 0.500000 0.717390 C\n0.982527 0.270255 0.022999 C\n0.250000 0.000000 0.217390 C\n0.185989 0.464635 0.785253 N\n0.314011 0.535365 0.785253 N\n0.814011 0.535365 0.214747 N\n0.314011 0.964635 0.714747 N\n0.185989 0.035365 0.714747 N\n0.685989 0.035365 0.285253 N\n0.685989 0.464635 0.214747 N\n0.814011 0.964635 0.285253 N\n0.977276 0.308080 0.907893 O\n0.245507 0.391380 0.349075 O\n0.745507 0.391380 0.650925 O\n0.443634 0.822258 0.395637 O\n0.477276 0.308080 0.092107 O\n0.056366 0.322258 0.104363 O\n0.254493 0.891380 0.150925 O\n0.754493 0.891380 0.849075 O\n0.977276 0.191920 0.592107 O\n0.522724 0.691920 0.907893 O\n0.022724 0.808080 0.407893 O\n0.477276 0.191920 0.407893 O\n0.522724 0.808080 0.592107 O\n0.943634 0.822258 0.604363 O\n0.056366 0.177742 0.395637 O\n0.745507 0.108620 0.849075 O\n0.556366 0.177742 0.604363 O\n0.556366 0.322258 0.895637 O\n0.254493 0.608620 0.349075 O\n0.022724 0.691920 0.092107 O\n0.245507 0.108620 0.150925 O\n0.443634 0.677742 0.104363 O\n0.754493 0.608620 0.650925 O\n0.943634 0.677742 0.895637 O\n",
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{
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"structure_string": "K4 Bi2 I10 O30\n1.0\n0.000000 0.000000 8.390712\n8.392041 0.000000 0.000000\n0.000000 11.738807 -4.195356\nK Bi I O\n4 2 10 30\ndirect\n0.745479 0.000000 0.000000 K\n0.245479 0.000000 0.000000 K\n0.483295 0.511563 0.500000 K\n0.983295 0.488436 0.500000 K\n0.824677 0.500000 0.000000 Bi\n0.324676 0.500000 0.000000 Bi\n0.873084 0.265483 0.790799 I\n0.082285 0.734517 0.209201 I\n0.373084 0.734517 0.790799 I\n0.582285 0.265483 0.209201 I\n0.828066 0.752617 0.728413 I\n0.099652 0.247383 0.271587 I\n0.328066 0.247383 0.728413 I\n0.599652 0.752617 0.271587 I\n0.522613 0.053426 0.500000 I\n0.022613 0.946574 0.500000 I\n0.924066 0.064466 0.845361 O\n0.078706 0.935534 0.154639 O\n0.424066 0.935534 0.845361 O\n0.578706 0.064466 0.154639 O\n0.017544 0.381422 0.916048 O\n0.101496 0.618578 0.083952 O\n0.517544 0.618578 0.916048 O\n0.601496 0.381422 0.083952 O\n0.693009 0.304890 0.841894 O\n0.851115 0.695110 0.158106 O\n0.193009 0.695110 0.841894 O\n0.351115 0.304890 0.158106 O\n0.830790 0.711472 0.874221 O\n0.956569 0.288528 0.125779 O\n0.330790 0.288528 0.874221 O\n0.456569 0.711472 0.125779 O\n0.823713 0.553411 0.668209 O\n0.155504 0.446589 0.331791 O\n0.323713 0.446589 0.668209 O\n0.655504 0.553411 0.331791 O\n0.602187 0.800673 0.665187 O\n0.937001 0.199327 0.334813 O\n0.102187 0.199327 0.665187 O\n0.437001 0.800673 0.334813 O\n0.637884 0.188019 0.616225 O\n0.021659 0.811981 0.383775 O\n0.137884 0.811981 0.616225 O\n0.521659 0.188019 0.383775 O\n0.307415 0.102021 0.500000 O\n0.807415 0.897979 0.500000 O\n",
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{
"id": "mp-703539",
"created_at": "2022-09-04T14:39:25.924371Z",
"structure_string": "Ag4 B44 H24 C4 Br24\n1.0\n11.366295 0.000000 0.000000\n0.000000 12.049970 0.000000\n0.000000 0.000000 13.168283\nAg B H C Br\n4 44 24 4 24\ndirect\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.171727 0.919256 0.497002 B\n0.328273 0.419256 0.002998 B\n0.671727 0.080744 0.502998 B\n0.828273 0.580744 0.997002 B\n0.828273 0.080744 0.502998 B\n0.671727 0.580744 0.997002 B\n0.328273 0.919256 0.497002 B\n0.171727 0.419256 0.002998 B\n0.123380 0.857726 0.613043 B\n0.376620 0.357726 0.886957 B\n0.623380 0.142274 0.386957 B\n0.876620 0.642274 0.113043 B\n0.876620 0.142274 0.386957 B\n0.623380 0.642274 0.113043 B\n0.376620 0.857726 0.613043 B\n0.123380 0.357726 0.886957 B\n0.250000 0.819625 0.684976 B\n0.250000 0.319625 0.815024 B\n0.750000 0.180375 0.315024 B\n0.750000 0.680375 0.184976 B\n0.122393 0.779609 0.498785 B\n0.377607 0.279609 0.001215 B\n0.622393 0.220391 0.501215 B\n0.877607 0.720391 0.998785 B\n0.877607 0.220391 0.501215 B\n0.622393 0.720391 0.998785 B\n0.377607 0.779609 0.498785 B\n0.122393 0.279609 0.001215 B\n0.171340 0.717661 0.615173 B\n0.328660 0.217661 0.884827 B\n0.671340 0.282339 0.384827 B\n0.828660 0.782339 0.115173 B\n0.828660 0.282339 0.384827 B\n0.671340 0.782339 0.115173 B\n0.328660 0.717661 0.615173 B\n0.171340 0.217661 0.884827 B\n0.250000 0.817764 0.425215 B\n0.250000 0.317764 0.074785 B\n0.750000 0.182236 0.574785 B\n0.750000 0.682236 0.925215 B\n0.250000 0.692907 0.499397 B\n0.250000 0.192907 0.000603 B\n0.750000 0.307093 0.500603 B\n0.750000 0.807093 0.999397 B\n0.250000 0.012627 0.643151 H\n0.250000 0.512627 0.856849 H\n0.750000 0.987373 0.356849 H\n0.750000 0.487373 0.143151 H\n0.120660 0.997092 0.463857 H\n0.379340 0.497092 0.036143 H\n0.620660 0.002908 0.536143 H\n0.879340 0.502908 0.963857 H\n0.879340 0.002908 0.536143 H\n0.620660 0.502908 0.963857 H\n0.379340 0.997092 0.463857 H\n0.120660 0.497092 0.036143 H\n0.039438 0.893804 0.655142 H\n0.460562 0.393804 0.844858 H\n0.539438 0.106196 0.344858 H\n0.960562 0.606196 0.155142 H\n0.960562 0.106196 0.344858 H\n0.539438 0.606196 0.155142 H\n0.460562 0.893804 0.655142 H\n0.039438 0.393804 0.844858 H\n0.250000 0.831773 0.774453 H\n0.250000 0.331773 0.725547 H\n0.750000 0.168227 0.225547 H\n0.750000 0.668227 0.274453 H\n0.250000 0.931976 0.606678 C\n0.250000 0.431976 0.893322 C\n0.750000 0.068024 0.393322 C\n0.750000 0.568024 0.106678 C\n0.973247 0.731111 0.435870 Br\n0.526753 0.231111 0.064130 Br\n0.473247 0.268889 0.564130 Br\n0.026753 0.768889 0.935870 Br\n0.026753 0.268889 0.564130 Br\n0.473247 0.768889 0.935870 Br\n0.526753 0.731111 0.435870 Br\n0.973247 0.231111 0.064130 Br\n0.079479 0.599230 0.682184 Br\n0.420521 0.099230 0.817816 Br\n0.579479 0.400770 0.317816 Br\n0.920521 0.900770 0.182184 Br\n0.920521 0.400770 0.317816 Br\n0.579479 0.900770 0.182184 Br\n0.420521 0.599230 0.682184 Br\n0.079479 0.099230 0.817816 Br\n0.250000 0.814501 0.276634 Br\n0.250000 0.314501 0.223366 Br\n0.750000 0.185499 0.723366 Br\n0.750000 0.685499 0.776634 Br\n0.250000 0.546094 0.433498 Br\n0.250000 0.046094 0.066502 Br\n0.750000 0.453906 0.566502 Br\n0.750000 0.953906 0.933498 Br\n",
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{
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"structure_string": "Er8 Fe16 H24\n1.0\n5.269614 -5.580650 0.000000\n5.269614 5.580650 0.000000\n-0.640431 0.000000 7.648682\nEr Fe H\n8 16 24\ndirect\n0.862351 0.862351 0.862351 Er\n0.137649 0.137649 0.137649 Er\n0.366619 0.871231 0.366619 Er\n0.871231 0.366619 0.366619 Er\n0.366619 0.366619 0.871231 Er\n0.633381 0.128769 0.633381 Er\n0.128769 0.633381 0.633381 Er\n0.633381 0.633381 0.128769 Er\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.750573 0.000000 0.249427 Fe\n0.249427 0.000000 0.750573 Fe\n0.000000 0.249427 0.750573 Fe\n0.000000 0.750573 0.249427 Fe\n0.249427 0.750573 0.000000 Fe\n0.750573 0.249427 0.000000 Fe\n0.751547 0.493740 0.751547 Fe\n0.493740 0.751547 0.751547 Fe\n0.751547 0.751547 0.493740 Fe\n0.248453 0.506260 0.248453 Fe\n0.506260 0.248453 0.248453 Fe\n0.248453 0.248453 0.506260 Fe\n0.648286 0.854281 0.648286 H\n0.854281 0.648286 0.648286 H\n0.648286 0.648286 0.854281 H\n0.351714 0.145719 0.351714 H\n0.145719 0.351714 0.351714 H\n0.351714 0.351714 0.145719 H\n0.842749 0.136373 0.842749 H\n0.136373 0.842749 0.842749 H\n0.842749 0.842749 0.136373 H\n0.157251 0.863627 0.157251 H\n0.863627 0.157251 0.157251 H\n0.157251 0.157251 0.863627 H\n0.665311 0.365385 0.160988 H\n0.160988 0.365385 0.665311 H\n0.365385 0.160988 0.665311 H\n0.365385 0.665311 0.160988 H\n0.160988 0.665311 0.365385 H\n0.665311 0.160988 0.365385 H\n0.334689 0.634615 0.839012 H\n0.839012 0.634615 0.334689 H\n0.634615 0.839012 0.334689 H\n0.634615 0.334689 0.839012 H\n0.839012 0.334689 0.634615 H\n0.334689 0.839012 0.634615 H\n",
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{
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"structure_string": "Nd1 P12 Ru4\n1.0\n-4.050135 4.050135 4.050135\n4.050135 -4.050135 4.050135\n4.050135 4.050135 -4.050135\nNd P Ru\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.357668 0.214049 0.856381 P\n0.642332 0.785951 0.143619 P\n0.642332 0.498713 0.856381 P\n0.357668 0.501287 0.143619 P\n0.214049 0.856381 0.357668 P\n0.785951 0.143619 0.642332 P\n0.498713 0.856381 0.642332 P\n0.501287 0.143619 0.357668 P\n0.856381 0.357668 0.214049 P\n0.143619 0.642332 0.785951 P\n0.856381 0.642332 0.498713 P\n0.143619 0.357668 0.501287 P\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n",
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{
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